N-[3-(1H-1,2,4-triazol-5-yl)propyl]furan-3-carboxamide

C10H12N4O2 — CID 64546872

IUPACN-[3-(1H-1,2,4-triazol-5-yl)propyl]furan-3-carboxamide
SMILESO=C(NCCCc1ncn[nH]1)c1ccoc1
InChIInChI=1S/C10H12N4O2/c15-10(8-3-5-16-6-8)11-4-1-2-9-12-7-13-14-9/h3,5-7H,1-2,4H2,(H,11,15)(H,12,13,14)
InChIKeyNRABNBAYGPDIRP-UHFFFAOYSA-N
MW220.23 g/mol
LogP0.76
Rot. Bonds5

About N-[3-(1H-1,2,4-triazol-5-yl)propyl]furan-3-carboxamide

N-[3-(1H-1,2,4-triazol-5-yl)propyl]furan-3-carboxamide (PubChem CID 64546872) has the molecular formula C10H12N4O2 and a molecular weight of 220.23 g/mol. Its IUPAC name is N-[3-(1H-1,2,4-triazol-5-yl)propyl]furan-3-carboxamide.

Molecular Properties

Compound NameN-[3-(1H-1,2,4-triazol-5-yl)propyl]furan-3-carboxamide
PubChem CID64546872
Molecular FormulaC10H12N4O2
Molecular Weight220.23 g/mol
Exact Mass220.10
IUPAC NameN-[3-(1H-1,2,4-triazol-5-yl)propyl]furan-3-carboxamide
SMILESO=C(NCCCc1ncn[nH]1)c1ccoc1
InChIInChI=1S/C10H12N4O2/c15-10(8-3-5-16-6-8)11-4-1-2-9-12-7-13-14-9/h3,5-7H,1-2,4H2,(H,11,15)(H,12,13,14)
InChIKeyNRABNBAYGPDIRP-UHFFFAOYSA-N
XLogP0.76
TPSA83.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[3-(1H-1,2,4-triazol-5-yl)propyl]furan-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,4-dichloro-N-[3-(1H-1,2,4-triazol-5-yl)propyl]benzamide
CID 64547641
N-[3-(1H-1,2,4-triazol-5-yl)propyl]pyridine-3-carboxamide
CID 64548665
N-[3-(1H-1,2,4-triazol-5-yl)propyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 64548674
N-[3-(1H-1,2,4-triazol-5-yl)propyl]-1H-indazole-5-carboxamide
CID 64518388
1-methyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]pyrrole-2-carboxamide
CID 64519526
3,5-dimethyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]-1,2-oxazole-4-carboxamide
CID 64548284
5,6-dichloro-N-[3-(1H-1,2,4-triazol-5-yl)propyl]pyridine-3-carboxamide
CID 64547910
6-[3-(1H-1,2,4-triazol-5-yl)propylcarbamoyl]pyridine-3-carboxylic acid
CID 64523165
3-methoxy-N-[3-(1H-1,2,4-triazol-5-yl)propyl]benzamide
CID 64519181
N-[2-(1H-imidazol-2-yl)ethyl]furan-3-carboxamide
CID 115620204
3,4,5-trichloro-N-[3-(1H-1,2,4-triazol-5-yl)propyl]pyridine-2-carboxamide
CID 64547327
N-[3-(1H-1,2,4-triazol-5-yl)propyl]quinoline-6-carboxamide
CID 64548430

Frequently Asked Questions

What is the IUPAC name of N-[3-(1H-1,2,4-triazol-5-yl)propyl]furan-3-carboxamide?
The IUPAC name of N-[3-(1H-1,2,4-triazol-5-yl)propyl]furan-3-carboxamide (CID 64546872) is N-[3-(1H-1,2,4-triazol-5-yl)propyl]furan-3-carboxamide.
What is the SMILES notation for N-[3-(1H-1,2,4-triazol-5-yl)propyl]furan-3-carboxamide?
The canonical SMILES for N-[3-(1H-1,2,4-triazol-5-yl)propyl]furan-3-carboxamide is O=C(NCCCc1ncn[nH]1)c1ccoc1.
What is the InChIKey of N-[3-(1H-1,2,4-triazol-5-yl)propyl]furan-3-carboxamide?
The InChIKey is NRABNBAYGPDIRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O2/c15-10(8-3-5-16-6-8)11-4-1-2-9-12-7-13-14-9/h3,5-7H,1-2,4H2,(H,11,15)(H,12,13,14).
What are the key properties of N-[3-(1H-1,2,4-triazol-5-yl)propyl]furan-3-carboxamide?
N-[3-(1H-1,2,4-triazol-5-yl)propyl]furan-3-carboxamide has a molecular weight of 220.23 g/mol, XLogP of 0.76, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1H-1,2,4-triazol-5-yl)propyl]furan-3-carboxamide is sourced from PubChem (CID 64546872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).